Estimation of Order Parameter and Spin Moment of Fe3Pt by White X-Ray Diffraction Method

2013 ◽  
Vol 596 ◽  
pp. 3-7
Author(s):  
Kenta Hiiragi ◽  
Masahiro Naito ◽  
Hiromi Watanabe ◽  
Hiroshi Maruyama ◽  
Masahisa Ito
Keyword(s):  
Synchrotron Radiation ◽  
Diffraction Data ◽  
Order Parameter ◽  
Diffraction Method ◽  
Superlattice Reflection ◽  
Spin Moment ◽  
X Rays ◽  
X Ray Diffraction ◽  
X Ray ◽  
Pt Alloy

Diffraction intensities of a single crystal of Fe3Pt alloy have been measured by using white X-rays of synchrotron radiation. The observed intensities have been compared with the calculated ones for fundamental and superlattice reflections. By normalizing the calculated intensities of fundamental reflections to the observed ones and evaluating the ratio of the observed intensity of superlattice reflection to the calculated ones, we have estimated the order parameter as 0.82±0.03. The obtained order parameter has been applied to an analysis of the X-ray magnetic diffraction data to estimate the spin moment of Fe and Pt atoms in this alloy.

Refinement of the crystal structure of sieleckiite and revision of its symmetry

2017 ◽  
Vol 81 (4) ◽  
pp. 917-922
Author(s):  
Peter Elliott
Keyword(s):  
Crystal Structure ◽  
Synchrotron Radiation ◽  
Single Crystal ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Aluminium Phosphate ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Phosphate Mineral

AbstractThe crystal structure of the copper aluminium phosphate mineral sieleckiite, Cu3Al4(PO4)2 (OH)12·2H2O, from the Mt Oxide copper mine, Queensland, Australia was solved from single-crystal X-ray diffraction data utilizing synchrotron radiation. Sieleckiite has monoclinic rather than triclinic symmetry as previously reported and is space group C2/m with unit-cell parameters a = 11.711(2), b = 6.9233(14), c = 9.828(2) Å, β = 92.88(3)°, V = 795.8(3) Å3and Z = 2. The crystal structure, which has been refined to R1 = 0.0456 on the basis of 1186 unique reflections with Fo > 4σF, is a framework of corner-, edge- and face- sharing Cu and Al octahedra and PO4 tetrahedra.

Applications of High-Resolution Powder X-Ray Diffraction

2007 ◽  
Vol 130 ◽  
pp. 7-14 ◽  
Author(s):  
Andrew N. Fitch
Keyword(s):  
High Resolution ◽  
Synchrotron Radiation ◽  
Powder Diffraction ◽  
X Rays ◽  
X Ray Diffraction ◽  
Crystalline Materials ◽  
X Ray ◽  
Structural Characterisation ◽  
Pdf Analysis

The highly-collimated, intense X-rays produced by a synchrotron radiation source can be harnessed to build high-resolution powder diffraction instruments with a wide variety of applications. The general advantages of using synchrotron radiation for powder diffraction are discussed and illustrated with reference to the structural characterisation of crystalline materials, atomic PDF analysis, in-situ and high-throughput studies where the structure is evolving between successive scans, and the measurement of residual strain in engineering components.

Crystal Structures of New Compounds Na0.5Sm4.5Ti4O15 and Na0.5Eu4.5Ti4O15

2011 ◽  
Vol 415-417 ◽  
pp. 468-471
Author(s):  
Qiao Hong Yu ◽  
Zheng Fa Li ◽  
Yong Xiang Li ◽  
Ping Zhan Si ◽  
Jiang Ying Wang ◽  
...  
Keyword(s):  
Solid State ◽  
Crystal Structures ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Diffraction Method ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ordinary Temperature ◽  
Europium Titanate ◽  
New Compounds

New compounds of sodium samarium titanate Na0.5Sm4.5Ti4O15and sodium europium titanate Na0.5Eu4.5Ti4O15were synthesized successfully by solid state reaction at 1300 oC and 1200 oC, respectively. The lattice parameters of Na0.5Sm4.5Ti4O15and Na0.5Eu4.5Ti4O15were determined at ordinary temperature by using X-ray powder diffraction method. Their Lattice types were determined, and their patterns were indexed. Polycrystalline X-ray diffraction data of sodium samarium titanate were listed. Differences of their crystal structures were analyzed and discussed.

Masquerade: removing non-sample scattering from integrated reflection intensities

2012 ◽  
Vol 45 (2) ◽  
pp. 292-298 ◽  
Author(s):  
J. A. Coome ◽  
A. E. Goeta ◽  
J. A. K. Howard ◽  
M. R. Probert
Keyword(s):  
Data Collection ◽  
Diffraction Data ◽  
Low Temperatures ◽  
Test Case ◽  
X Rays ◽  
Atmospheric Conditions ◽  
X Ray Diffraction ◽  
New Approach ◽  
X Ray ◽  
Internal Agreement

X-ray diffraction experiments at very low temperatures require samples to be isolated from atmospheric conditions and held under vacuum. These conditions are usually maintainedviathe use of beryllium chambers, which also scatter X-rays, causing unwanted contamination of the sample's diffraction pattern. The removal of this contamination requires novel data-collection and processing procedures to be employed. Herein a new approach is described, which utilizes the differences in origin of scattering vectors from the sample and the beryllium to eliminate non-sample scattering. The programMasqueradehas been written to remove contaminated regions of the diffraction data from the processing programs. Coupled with experiments at different detector distances, it allows for the acquisition of decontaminated data. Studies of several single crystals have shown that this approach increases data quality, highlighted by the improvement in internal agreement factor with the test case of cytidine presented herein.

scholarly journals HiSPoD: a program for high-speed polychromatic X-ray diffraction experiments and data analysis on polycrystalline samples

2016 ◽  
Vol 23 (4) ◽  
pp. 1046-1053 ◽  
Author(s):  
Tao Sun ◽  
Kamel Fezzaa
Keyword(s):  
Diffraction Data ◽  
High Speed ◽  
Short Pulse ◽  
Frame Rate ◽  
Short Exposure ◽  
X Rays ◽  
X Ray Diffraction ◽  
Short Exposure Time ◽  
X Ray ◽  
Structure Information

A high-speed X-ray diffraction technique was recently developed at the 32-ID-B beamline of the Advanced Photon Source for studying highly dynamic, yet non-repeatable and irreversible, materials processes. In experiments, the microstructure evolution in a single material event is probed by recording a series of diffraction patterns with extremely short exposure time and high frame rate. Owing to the limited flux in a short pulse and the polychromatic nature of the incident X-rays, analysis of the diffraction data is challenging. Here,HiSPoD, a stand-alone Matlab-based software for analyzing the polychromatic X-ray diffraction data from polycrystalline samples, is described. WithHiSPoD, researchers are able to perform diffraction peak indexing, extraction of one-dimensional intensity profiles by integrating a two-dimensional diffraction pattern, and, more importantly, quantitative numerical simulations to obtain precise sample structure information.

scholarly journals STRUCTURE OF NEAREST ENVIRONMENT OF IONS IN AQUEOUS CESIUM IODIDE SOLUTIONS FROM X-RAY DIFFRACTION DATA

2017 ◽  
Vol 60 (7) ◽  
pp. 21
Author(s):  
Pavel R. Smirnov ◽  
Oleg V. Grechin ◽  
Elena A. Voevodina
Keyword(s):  
Aqueous Solutions ◽  
Diffraction Data ◽  
Ion Pairs ◽  
Diffraction Method ◽  
Cesium Iodide ◽  
Distribution Functions ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
X Ray ◽  
Quantitative Parameters

Comparatively large amount of works has been devoted to the investigation of the nearest environment of cesium ions in aqueous solutions. But up to date there are no precise quantitative parameters of it. Information about influence of concentration on cesium salts solutions structure is also absent. In order to get the coordination number of Cs+ ion and its dependence on the amount of dissolved salt the set of aqueous solutions of cesium iodide have been studied by X-ray diffraction method in wide concentration range under ambient conditions. Radial distribution functions (RDFs) of the solutions investigated have been calculated from experimental intensity curves of X-ray scattering. Interpretation of experimental peaks on RDFs has been made. On the basis of experimental results and literature information some physically reasonable models of solution have been constructed. Theoretical RDFs have been calculated for every model. Then an optimization procedure has also been made. On the ground of the best fitness between experimental and theoretical RDFs the optimal models for every solution have been found. All quantitative parameters have been tabulated and analyzed. Hydration numbers of Cs+ and I- increase with dilution, reaching in the solution of molar ratio 1:80 values 6.3 and 4.1, respectively. Interparticle distances of Cs+–ОН2 and I- –ОН2 are equal approximately to 0.312 and 0.359 nm. The ions do not form the second coordination shells. It has been determined that contact ion pairs Cs+–I- exist in whole concentration range investigated.Forcitation:Smirnov P.R., Grechin O.V., Voevodina E.A. Structure of nearest environment of ions in aqueous cesium iodide solutions from X-ray diffraction data. Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol. 2017. V. 60. N 7. P. 21-26.

X-Light: an open-source software written in Python to determine the residual stress by X-ray diffraction

2021 ◽  
Vol 54 (4) ◽  
Author(s):  
Tu-Quoc-Sang Pham ◽  
Guillaume Geandier ◽  
Nicolas Ratel-Ramond ◽  
Charles Mareau ◽  
Benoit Malard
Keyword(s):  
Residual Stress ◽  
User Interface ◽  
Synchrotron Radiation ◽  
Stress Analysis ◽  
Open Source ◽  
Graphical User Interface ◽  
Open Source Software ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
X Ray

X-Light is an open-source software that is written in Python with a graphical user interface. X-Light was developed to determine residual stress by X-ray diffraction. This software can process the 0D, 1D and 2D diffraction data obtained with laboratory diffractometers or synchrotron radiation. X-Light provides several options for stress analysis and five functions to fit a peak: Gauss, Lorentz, Pearson VII, pseudo-Voigt and Voigt. The residual stress is determined by the conventional sin2ψ method and the fundamental method.

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